CID 479413

Chembl32708

Structural Information

Molecular Formula
C16H18N6O2
SMILES
COC1=CC(=C(C=C1)OC)CNC2=CC3=C(N=C(N=C3N=C2)N)N
InChI
InChI=1S/C16H18N6O2/c1-23-11-3-4-13(24-2)9(5-11)7-19-10-6-12-14(17)21-16(18)22-15(12)20-8-10/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
InChIKey
CVKTUICDKSUYDI-UHFFFAOYSA-N
Compound name
6-N-[(2,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

326.1491 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15638 177.1
[M+Na]+ 349.13832 186.0
[M-H]- 325.14182 180.8
[M+NH4]+ 344.18292 187.1
[M+K]+ 365.11226 180.8
[M+H-H2O]+ 309.14636 166.4
[M+HCOO]- 371.14730 198.6
[M+CH3COO]- 385.16295 218.3
[M+Na-2H]- 347.12377 183.6
[M]+ 326.14855 178.0
[M]- 326.14965 178.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe